USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 8 ASN : amide:sc= -1.46 X(o=-6.9,f=-6.5) USER MOD Set 1.2: B 16 GLN : amide:sc= -3.9 K(o=-6.9,f=-14!) USER MOD Set 1.3: B 24 THR OG1 : rot 150:sc= 0 USER MOD Set 1.4: B 28 MET CE :methyl -168:sc= -1.53 (180deg=0) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -122:sc= -2.49! (180deg=0) USER MOD Set 2.2: A 8 ASN : amide:sc= -3.13! C(o=-5.6!,f=-2.5!) USER MOD Single : A 9 ASN : amide:sc= -4.28! K(o=-4.3!,f=-0.23) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 16 GLN : amide:sc= -5.28! K(o=-5.3!,f=-1.4) USER MOD Single : A 20 SER OG : rot -13:sc= 0.793 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc=-0.000532 (180deg=-0.088) USER MOD Single : A 37 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.2!) USER MOD Single : A 44 SER OG : rot 96:sc= 1.04 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.41) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -13:sc= 0.57 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0955) USER MOD Single : B 37 ASN : amide:sc= -2! C(o=-2!,f=-4.3!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 3.925 3.371 2.427 1.00 0.00 N ATOM 13 CA GLU A 2 4.152 2.214 3.284 1.00 0.00 C ATOM 14 C GLU A 2 4.025 0.927 2.499 1.00 0.00 C ATOM 15 O GLU A 2 4.613 -0.076 2.860 1.00 0.00 O ATOM 16 CB GLU A 2 3.158 2.182 4.441 1.00 0.00 C ATOM 17 CG GLU A 2 3.250 3.380 5.355 1.00 0.00 C ATOM 18 CD GLU A 2 4.629 3.551 5.962 1.00 0.00 C ATOM 19 OE1 GLU A 2 5.086 2.626 6.667 1.00 0.00 O ATOM 20 OE2 GLU A 2 5.253 4.608 5.730 1.00 0.00 O ATOM 0 HA GLU A 2 5.164 2.302 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.147 2.121 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.324 1.277 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.990 4.279 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.516 3.279 6.154 1.00 0.00 H new ATOM 27 N ALA A 3 3.243 0.966 1.433 1.00 0.00 N ATOM 28 CA ALA A 3 3.021 -0.208 0.594 1.00 0.00 C ATOM 29 C ALA A 3 4.294 -0.579 -0.143 1.00 0.00 C ATOM 30 O ALA A 3 4.509 -1.725 -0.532 1.00 0.00 O ATOM 31 CB ALA A 3 1.896 0.055 -0.389 1.00 0.00 C ATOM 0 H ALA A 3 2.747 1.802 1.124 1.00 0.00 H new ATOM 0 HA ALA A 3 2.736 -1.044 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.740 -0.828 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.980 0.280 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.158 0.902 -1.023 1.00 0.00 H new ATOM 37 N LEU A 4 5.115 0.422 -0.343 1.00 0.00 N ATOM 38 CA LEU A 4 6.374 0.285 -1.034 1.00 0.00 C ATOM 39 C LEU A 4 7.470 -0.168 -0.075 1.00 0.00 C ATOM 40 O LEU A 4 8.244 -1.076 -0.374 1.00 0.00 O ATOM 41 CB LEU A 4 6.724 1.641 -1.640 1.00 0.00 C ATOM 42 CG LEU A 4 5.800 2.134 -2.769 1.00 0.00 C ATOM 43 CD1 LEU A 4 4.332 1.855 -2.468 1.00 0.00 C ATOM 44 CD2 LEU A 4 6.011 3.620 -2.990 1.00 0.00 C ATOM 0 H LEU A 4 4.924 1.372 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 4 6.291 -0.470 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.720 2.385 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.742 1.593 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 4 6.058 1.585 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.716 2.219 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.182 0.782 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.046 2.364 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.356 3.966 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.780 4.161 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.049 3.803 -3.267 1.00 0.00 H new ATOM 56 N LYS A 5 7.522 0.492 1.074 1.00 0.00 N ATOM 57 CA LYS A 5 8.512 0.206 2.106 1.00 0.00 C ATOM 58 C LYS A 5 8.124 -1.008 2.946 1.00 0.00 C ATOM 59 O LYS A 5 8.982 -1.650 3.552 1.00 0.00 O ATOM 60 CB LYS A 5 8.695 1.429 3.008 1.00 0.00 C ATOM 61 CG LYS A 5 9.665 1.199 4.151 1.00 0.00 C ATOM 62 CD LYS A 5 10.973 0.621 3.646 1.00 0.00 C ATOM 63 CE LYS A 5 11.966 0.416 4.780 1.00 0.00 C ATOM 64 NZ LYS A 5 13.270 -0.107 4.290 1.00 0.00 N ATOM 0 H LYS A 5 6.877 1.243 1.318 1.00 0.00 H new ATOM 0 HA LYS A 5 9.453 -0.025 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.048 2.265 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.726 1.717 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.854 2.140 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.220 0.520 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.784 -0.331 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.404 1.289 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.126 1.362 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.547 -0.279 5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.482 -1.009 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.220 -0.257 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.022 0.580 4.503 1.00 0.00 H new ATOM 78 N ILE A 6 6.835 -1.317 2.982 1.00 0.00 N ATOM 79 CA ILE A 6 6.345 -2.447 3.745 1.00 0.00 C ATOM 80 C ILE A 6 7.069 -3.707 3.332 1.00 0.00 C ATOM 81 O ILE A 6 7.610 -4.447 4.153 1.00 0.00 O ATOM 82 CB ILE A 6 4.838 -2.664 3.511 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.389 -3.929 4.213 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.537 -2.763 2.028 1.00 0.00 C ATOM 85 CD1 ILE A 6 2.918 -4.209 4.055 1.00 0.00 C ATOM 0 H ILE A 6 6.110 -0.796 2.488 1.00 0.00 H new ATOM 0 HA ILE A 6 6.523 -2.231 4.798 1.00 0.00 H new ATOM 0 HB ILE A 6 4.295 -1.811 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.956 -4.774 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.625 -3.850 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.468 -2.916 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.842 -1.841 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.085 -3.603 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.664 -5.129 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.343 -3.382 4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.680 -4.320 2.997 1.00 0.00 H new ATOM 97 N LEU A 7 7.062 -3.924 2.037 1.00 0.00 N ATOM 98 CA LEU A 7 7.696 -5.070 1.438 1.00 0.00 C ATOM 99 C LEU A 7 9.045 -4.655 0.881 1.00 0.00 C ATOM 100 O LEU A 7 9.859 -5.491 0.487 1.00 0.00 O ATOM 101 CB LEU A 7 6.781 -5.642 0.344 1.00 0.00 C ATOM 102 CG LEU A 7 7.161 -5.309 -1.103 1.00 0.00 C ATOM 103 CD1 LEU A 7 8.165 -6.314 -1.643 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.919 -5.277 -1.975 1.00 0.00 C ATOM 0 H LEU A 7 6.611 -3.303 1.366 1.00 0.00 H new ATOM 0 HA LEU A 7 7.860 -5.851 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.758 -6.727 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.768 -5.282 0.523 1.00 0.00 H new ATOM 0 HG LEU A 7 7.627 -4.324 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.420 -6.057 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.066 -6.293 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.730 -7.313 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.201 -5.039 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.431 -6.251 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.232 -4.517 -1.602 1.00 0.00 H new ATOM 116 N ASN A 8 9.266 -3.342 0.855 1.00 0.00 N ATOM 117 CA ASN A 8 10.515 -2.783 0.342 1.00 0.00 C ATOM 118 C ASN A 8 10.656 -3.077 -1.149 1.00 0.00 C ATOM 119 O ASN A 8 11.767 -3.228 -1.660 1.00 0.00 O ATOM 120 CB ASN A 8 11.714 -3.360 1.100 1.00 0.00 C ATOM 121 CG ASN A 8 11.606 -3.162 2.599 1.00 0.00 C ATOM 122 OD1 ASN A 8 10.664 -3.635 3.234 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.577 -2.463 3.174 1.00 0.00 N ATOM 0 H ASN A 8 8.597 -2.646 1.183 1.00 0.00 H new ATOM 0 HA ASN A 8 10.492 -1.703 0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.798 -4.425 0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.628 -2.888 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.561 -2.300 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.339 -2.089 2.609 1.00 0.00 H new ATOM 130 N ASN A 9 9.518 -3.152 -1.838 1.00 0.00 N ATOM 131 CA ASN A 9 9.486 -3.424 -3.273 1.00 0.00 C ATOM 132 C ASN A 9 10.086 -4.795 -3.598 1.00 0.00 C ATOM 133 O ASN A 9 11.196 -5.116 -3.178 1.00 0.00 O ATOM 134 CB ASN A 9 10.233 -2.329 -4.040 1.00 0.00 C ATOM 135 CG ASN A 9 9.630 -0.944 -3.852 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.119 0.033 -4.421 1.00 0.00 O ATOM 137 ND2 ASN A 9 8.567 -0.841 -3.053 1.00 0.00 N ATOM 0 H ASN A 9 8.597 -3.026 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 9 8.442 -3.431 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.273 -2.312 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.235 -2.576 -5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.132 0.069 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.189 -1.672 -2.598 1.00 0.00 H new ATOM 144 N ILE A 10 9.334 -5.599 -4.349 1.00 0.00 N ATOM 145 CA ILE A 10 9.773 -6.939 -4.739 1.00 0.00 C ATOM 146 C ILE A 10 11.145 -6.912 -5.400 1.00 0.00 C ATOM 147 O ILE A 10 11.908 -7.868 -5.298 1.00 0.00 O ATOM 148 CB ILE A 10 8.770 -7.618 -5.694 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.627 -6.831 -7.006 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.423 -7.784 -5.007 1.00 0.00 C ATOM 151 CD1 ILE A 10 7.976 -5.473 -6.853 1.00 0.00 C ATOM 0 H ILE A 10 8.412 -5.343 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 10 9.831 -7.517 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 10 9.155 -8.606 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.616 -6.699 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.042 -7.424 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.723 -8.264 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.542 -8.401 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.037 -6.805 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.915 -4.987 -7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.973 -5.594 -6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.571 -4.858 -6.177 1.00 0.00 H new ATOM 163 N ARG A 11 11.455 -5.815 -6.079 1.00 0.00 N ATOM 164 CA ARG A 11 12.740 -5.679 -6.752 1.00 0.00 C ATOM 165 C ARG A 11 13.890 -5.942 -5.782 1.00 0.00 C ATOM 166 O ARG A 11 14.843 -6.653 -6.106 1.00 0.00 O ATOM 167 CB ARG A 11 12.873 -4.282 -7.363 1.00 0.00 C ATOM 168 CG ARG A 11 12.739 -3.155 -6.350 1.00 0.00 C ATOM 169 CD ARG A 11 12.830 -1.791 -7.018 1.00 0.00 C ATOM 170 NE ARG A 11 14.087 -1.616 -7.742 1.00 0.00 N ATOM 171 CZ ARG A 11 15.284 -1.619 -7.161 1.00 0.00 C ATOM 172 NH1 ARG A 11 15.391 -1.776 -5.848 1.00 0.00 N ATOM 173 NH2 ARG A 11 16.378 -1.461 -7.895 1.00 0.00 N ATOM 0 H ARG A 11 10.837 -5.010 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 11 12.788 -6.419 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.842 -4.202 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.112 -4.158 -8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.785 -3.244 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.522 -3.246 -5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.995 -1.669 -7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.736 -1.011 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 11 14.044 -1.484 -8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.553 -1.895 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.311 -1.778 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.301 -1.337 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.296 -1.463 -7.450 1.00 0.00 H new ATOM 187 N THR A 12 13.790 -5.365 -4.590 1.00 0.00 N ATOM 188 CA THR A 12 14.814 -5.533 -3.566 1.00 0.00 C ATOM 189 C THR A 12 14.549 -6.768 -2.706 1.00 0.00 C ATOM 190 O THR A 12 15.482 -7.471 -2.312 1.00 0.00 O ATOM 191 CB THR A 12 14.901 -4.295 -2.653 1.00 0.00 C ATOM 192 OG1 THR A 12 15.197 -3.130 -3.433 1.00 0.00 O ATOM 193 CG2 THR A 12 15.971 -4.480 -1.586 1.00 0.00 C ATOM 0 H THR A 12 13.007 -4.775 -4.308 1.00 0.00 H new ATOM 0 HA THR A 12 15.761 -5.661 -4.090 1.00 0.00 H new ATOM 0 HB THR A 12 13.937 -4.168 -2.160 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.249 -2.347 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.013 -3.592 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.729 -5.349 -0.975 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.939 -4.631 -2.064 1.00 0.00 H new ATOM 201 N LEU A 13 13.278 -7.013 -2.397 1.00 0.00 N ATOM 202 CA LEU A 13 12.902 -8.149 -1.561 1.00 0.00 C ATOM 203 C LEU A 13 13.190 -9.479 -2.245 1.00 0.00 C ATOM 204 O LEU A 13 13.892 -10.323 -1.698 1.00 0.00 O ATOM 205 CB LEU A 13 11.421 -8.070 -1.177 1.00 0.00 C ATOM 206 CG LEU A 13 10.944 -9.143 -0.188 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.583 -8.775 0.375 1.00 0.00 C ATOM 208 CD2 LEU A 13 10.886 -10.513 -0.853 1.00 0.00 C ATOM 0 H LEU A 13 12.494 -6.442 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 13 13.511 -8.098 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.226 -7.088 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.822 -8.144 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 13 11.663 -9.192 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.258 -9.545 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.650 -7.819 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.862 -8.696 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.545 -11.254 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.193 -10.480 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.879 -10.786 -1.212 1.00 0.00 H new ATOM 220 N ARG A 14 12.624 -9.669 -3.429 1.00 0.00 N ATOM 221 CA ARG A 14 12.797 -10.904 -4.175 1.00 0.00 C ATOM 222 C ARG A 14 14.251 -11.357 -4.191 1.00 0.00 C ATOM 223 O ARG A 14 14.530 -12.552 -4.248 1.00 0.00 O ATOM 224 CB ARG A 14 12.290 -10.704 -5.599 1.00 0.00 C ATOM 225 CG ARG A 14 12.395 -11.933 -6.477 1.00 0.00 C ATOM 226 CD ARG A 14 11.857 -11.643 -7.863 1.00 0.00 C ATOM 227 NE ARG A 14 11.900 -12.817 -8.732 1.00 0.00 N ATOM 228 CZ ARG A 14 13.024 -13.430 -9.095 1.00 0.00 C ATOM 229 NH1 ARG A 14 14.198 -12.973 -8.679 1.00 0.00 N ATOM 230 NH2 ARG A 14 12.974 -14.497 -9.879 1.00 0.00 N ATOM 0 H ARG A 14 12.037 -8.977 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 14 12.221 -11.687 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.248 -10.388 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.852 -9.893 -6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.435 -12.252 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.838 -12.756 -6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.829 -11.289 -7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.437 -10.838 -8.314 1.00 0.00 H new ATOM 0 HE ARG A 14 11.016 -13.189 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.241 -12.149 -8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.058 -13.445 -8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.074 -14.849 -10.205 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.836 -14.966 -10.157 1.00 0.00 H new ATOM 244 N ALA A 15 15.169 -10.402 -4.150 1.00 0.00 N ATOM 245 CA ALA A 15 16.596 -10.708 -4.172 1.00 0.00 C ATOM 246 C ALA A 15 17.158 -10.960 -2.779 1.00 0.00 C ATOM 247 O ALA A 15 17.805 -11.980 -2.534 1.00 0.00 O ATOM 248 CB ALA A 15 17.355 -9.574 -4.823 1.00 0.00 C ATOM 0 H ALA A 15 14.953 -9.406 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 15 16.719 -11.625 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.419 -9.809 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.001 -9.438 -5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.193 -8.656 -4.258 1.00 0.00 H new ATOM 254 N GLN A 16 16.924 -10.019 -1.871 1.00 0.00 N ATOM 255 CA GLN A 16 17.424 -10.134 -0.504 1.00 0.00 C ATOM 256 C GLN A 16 16.839 -11.360 0.171 1.00 0.00 C ATOM 257 O GLN A 16 17.485 -12.016 0.986 1.00 0.00 O ATOM 258 CB GLN A 16 17.052 -8.889 0.307 1.00 0.00 C ATOM 259 CG GLN A 16 15.555 -8.773 0.548 1.00 0.00 C ATOM 260 CD GLN A 16 15.167 -7.579 1.398 1.00 0.00 C ATOM 261 OE1 GLN A 16 15.675 -7.396 2.505 1.00 0.00 O ATOM 262 NE2 GLN A 16 14.248 -6.769 0.885 1.00 0.00 N ATOM 0 H GLN A 16 16.392 -9.169 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 16 18.509 -10.227 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.569 -8.917 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.402 -8.000 -0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.045 -8.705 -0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.202 -9.683 1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.856 -6.962 -0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.934 -5.954 1.413 1.00 0.00 H new ATOM 271 N ALA A 17 15.599 -11.641 -0.180 1.00 0.00 N ATOM 272 CA ALA A 17 14.870 -12.763 0.368 1.00 0.00 C ATOM 273 C ALA A 17 15.146 -14.029 -0.425 1.00 0.00 C ATOM 274 O ALA A 17 14.945 -15.137 0.071 1.00 0.00 O ATOM 275 CB ALA A 17 13.388 -12.448 0.389 1.00 0.00 C ATOM 0 H ALA A 17 15.068 -11.093 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 17 15.207 -12.936 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.842 -13.296 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.212 -11.567 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.043 -12.254 -0.627 1.00 0.00 H new ATOM 281 N ARG A 18 15.603 -13.856 -1.662 1.00 0.00 N ATOM 282 CA ARG A 18 15.904 -14.990 -2.521 1.00 0.00 C ATOM 283 C ARG A 18 16.805 -15.982 -1.804 1.00 0.00 C ATOM 284 O ARG A 18 16.710 -17.192 -2.017 1.00 0.00 O ATOM 285 CB ARG A 18 16.578 -14.508 -3.801 1.00 0.00 C ATOM 286 CG ARG A 18 16.850 -15.611 -4.802 1.00 0.00 C ATOM 287 CD ARG A 18 17.459 -15.046 -6.067 1.00 0.00 C ATOM 288 NE ARG A 18 17.686 -16.076 -7.077 1.00 0.00 N ATOM 289 CZ ARG A 18 18.511 -17.108 -6.910 1.00 0.00 C ATOM 290 NH1 ARG A 18 19.203 -17.236 -5.786 1.00 0.00 N ATOM 291 NH2 ARG A 18 18.645 -18.011 -7.871 1.00 0.00 N ATOM 0 H ARG A 18 15.771 -12.945 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 18 14.969 -15.491 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 18 15.948 -13.752 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 18 17.520 -14.023 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.524 -16.347 -4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.922 -16.130 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.800 -14.279 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.405 -14.560 -5.827 1.00 0.00 H new ATOM 0 HE ARG A 18 17.184 -16.001 -7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.105 -16.542 -5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.834 -18.028 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.116 -17.915 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.277 -18.802 -7.743 1.00 0.00 H new ATOM 305 N GLU A 19 17.679 -15.461 -0.955 1.00 0.00 N ATOM 306 CA GLU A 19 18.601 -16.304 -0.203 1.00 0.00 C ATOM 307 C GLU A 19 17.845 -17.203 0.770 1.00 0.00 C ATOM 308 O GLU A 19 18.259 -18.332 1.034 1.00 0.00 O ATOM 309 CB GLU A 19 19.617 -15.447 0.555 1.00 0.00 C ATOM 310 CG GLU A 19 18.991 -14.527 1.589 1.00 0.00 C ATOM 311 CD GLU A 19 20.019 -13.681 2.315 1.00 0.00 C ATOM 312 OE1 GLU A 19 20.727 -12.900 1.642 1.00 0.00 O ATOM 313 OE2 GLU A 19 20.117 -13.798 3.554 1.00 0.00 O ATOM 0 H GLU A 19 17.770 -14.462 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 19 19.135 -16.935 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.333 -16.102 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.178 -14.846 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 18.269 -13.874 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.439 -15.124 2.315 1.00 0.00 H new ATOM 320 N SER A 20 16.739 -16.693 1.307 1.00 0.00 N ATOM 321 CA SER A 20 15.932 -17.450 2.260 1.00 0.00 C ATOM 322 C SER A 20 14.736 -18.116 1.577 1.00 0.00 C ATOM 323 O SER A 20 14.820 -18.531 0.420 1.00 0.00 O ATOM 324 CB SER A 20 15.458 -16.527 3.385 1.00 0.00 C ATOM 325 OG SER A 20 14.622 -15.499 2.886 1.00 0.00 O ATOM 0 H SER A 20 16.382 -15.761 1.099 1.00 0.00 H new ATOM 0 HA SER A 20 16.553 -18.241 2.680 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.918 -17.108 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.320 -16.087 3.886 1.00 0.00 H new ATOM 0 HG SER A 20 14.690 -15.468 1.909 1.00 0.00 H new ATOM 331 N THR A 21 13.623 -18.216 2.304 1.00 0.00 N ATOM 332 CA THR A 21 12.404 -18.830 1.783 1.00 0.00 C ATOM 333 C THR A 21 11.333 -17.767 1.543 1.00 0.00 C ATOM 334 O THR A 21 11.455 -16.640 2.024 1.00 0.00 O ATOM 335 CB THR A 21 11.863 -19.896 2.759 1.00 0.00 C ATOM 336 OG1 THR A 21 12.900 -20.829 3.083 1.00 0.00 O ATOM 337 CG2 THR A 21 10.683 -20.646 2.157 1.00 0.00 C ATOM 0 H THR A 21 13.542 -17.877 3.262 1.00 0.00 H new ATOM 0 HA THR A 21 12.651 -19.313 0.838 1.00 0.00 H new ATOM 0 HB THR A 21 11.526 -19.386 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.552 -21.502 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.324 -21.390 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.881 -19.943 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.998 -21.143 1.239 1.00 0.00 H new ATOM 345 N LEU A 22 10.284 -18.123 0.801 1.00 0.00 N ATOM 346 CA LEU A 22 9.211 -17.191 0.512 1.00 0.00 C ATOM 347 C LEU A 22 8.575 -16.694 1.803 1.00 0.00 C ATOM 348 O LEU A 22 7.862 -15.709 1.801 1.00 0.00 O ATOM 349 CB LEU A 22 8.160 -17.830 -0.401 1.00 0.00 C ATOM 350 CG LEU A 22 6.824 -18.164 0.261 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.780 -18.483 -0.794 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.959 -19.314 1.243 1.00 0.00 C ATOM 0 H LEU A 22 10.161 -19.050 0.393 1.00 0.00 H new ATOM 0 HA LEU A 22 9.635 -16.336 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.972 -17.155 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.577 -18.746 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 22 6.502 -17.288 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.833 -18.719 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.648 -17.621 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.109 -19.338 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.989 -19.523 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.314 -20.201 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.671 -19.045 2.023 1.00 0.00 H new ATOM 364 N GLU A 23 8.835 -17.383 2.908 1.00 0.00 N ATOM 365 CA GLU A 23 8.274 -16.991 4.200 1.00 0.00 C ATOM 366 C GLU A 23 8.322 -15.474 4.358 1.00 0.00 C ATOM 367 O GLU A 23 7.494 -14.883 5.055 1.00 0.00 O ATOM 368 CB GLU A 23 9.044 -17.662 5.337 1.00 0.00 C ATOM 369 CG GLU A 23 10.515 -17.282 5.386 1.00 0.00 C ATOM 370 CD GLU A 23 11.256 -17.959 6.522 1.00 0.00 C ATOM 371 OE1 GLU A 23 10.875 -17.743 7.692 1.00 0.00 O ATOM 372 OE2 GLU A 23 12.216 -18.707 6.242 1.00 0.00 O ATOM 0 H GLU A 23 9.428 -18.213 2.938 1.00 0.00 H new ATOM 0 HA GLU A 23 7.234 -17.316 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.578 -17.397 6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.961 -18.744 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.987 -17.548 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.604 -16.201 5.493 1.00 0.00 H new ATOM 379 N THR A 24 9.285 -14.850 3.679 1.00 0.00 N ATOM 380 CA THR A 24 9.428 -13.401 3.709 1.00 0.00 C ATOM 381 C THR A 24 8.108 -12.735 3.340 1.00 0.00 C ATOM 382 O THR A 24 7.690 -11.772 3.982 1.00 0.00 O ATOM 383 CB THR A 24 10.533 -12.922 2.749 1.00 0.00 C ATOM 384 OG1 THR A 24 10.584 -11.491 2.734 1.00 0.00 O ATOM 385 CG2 THR A 24 10.293 -13.442 1.340 1.00 0.00 C ATOM 0 H THR A 24 9.976 -15.329 3.102 1.00 0.00 H new ATOM 0 HA THR A 24 9.711 -13.118 4.723 1.00 0.00 H new ATOM 0 HB THR A 24 11.485 -13.315 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.290 -11.195 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.087 -13.090 0.682 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.287 -14.532 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.332 -13.078 0.976 1.00 0.00 H new ATOM 393 N LEU A 25 7.440 -13.263 2.313 1.00 0.00 N ATOM 394 CA LEU A 25 6.158 -12.721 1.899 1.00 0.00 C ATOM 395 C LEU A 25 5.116 -12.954 2.983 1.00 0.00 C ATOM 396 O LEU A 25 4.382 -12.051 3.353 1.00 0.00 O ATOM 397 CB LEU A 25 5.685 -13.290 0.546 1.00 0.00 C ATOM 398 CG LEU A 25 5.875 -14.796 0.301 1.00 0.00 C ATOM 399 CD1 LEU A 25 5.017 -15.638 1.231 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.548 -15.137 -1.142 1.00 0.00 C ATOM 0 H LEU A 25 7.766 -14.057 1.762 1.00 0.00 H new ATOM 0 HA LEU A 25 6.288 -11.648 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.624 -13.064 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.207 -12.752 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 25 6.920 -15.028 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.183 -16.695 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.286 -15.426 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.966 -15.398 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.686 -16.206 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.513 -14.869 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.210 -14.581 -1.806 1.00 0.00 H new ATOM 412 N GLU A 26 5.064 -14.155 3.527 1.00 0.00 N ATOM 413 CA GLU A 26 4.111 -14.433 4.579 1.00 0.00 C ATOM 414 C GLU A 26 4.300 -13.419 5.694 1.00 0.00 C ATOM 415 O GLU A 26 3.365 -13.091 6.422 1.00 0.00 O ATOM 416 CB GLU A 26 4.261 -15.872 5.081 1.00 0.00 C ATOM 417 CG GLU A 26 3.420 -16.206 6.307 1.00 0.00 C ATOM 418 CD GLU A 26 3.978 -15.621 7.591 1.00 0.00 C ATOM 419 OE1 GLU A 26 5.146 -15.916 7.918 1.00 0.00 O ATOM 420 OE2 GLU A 26 3.245 -14.875 8.273 1.00 0.00 O ATOM 0 H GLU A 26 5.660 -14.940 3.263 1.00 0.00 H new ATOM 0 HA GLU A 26 3.096 -14.341 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.992 -16.554 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.310 -16.054 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.406 -15.835 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.351 -17.289 6.408 1.00 0.00 H new ATOM 427 N GLU A 27 5.520 -12.902 5.799 1.00 0.00 N ATOM 428 CA GLU A 27 5.837 -11.901 6.806 1.00 0.00 C ATOM 429 C GLU A 27 5.395 -10.511 6.352 1.00 0.00 C ATOM 430 O GLU A 27 4.679 -9.818 7.068 1.00 0.00 O ATOM 431 CB GLU A 27 7.339 -11.904 7.102 1.00 0.00 C ATOM 432 CG GLU A 27 7.751 -10.909 8.173 1.00 0.00 C ATOM 433 CD GLU A 27 9.238 -10.945 8.460 1.00 0.00 C ATOM 434 OE1 GLU A 27 9.739 -12.015 8.865 1.00 0.00 O ATOM 435 OE2 GLU A 27 9.905 -9.904 8.280 1.00 0.00 O ATOM 0 H GLU A 27 6.303 -13.161 5.199 1.00 0.00 H new ATOM 0 HA GLU A 27 5.294 -12.153 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.637 -12.905 7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.882 -11.682 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.470 -9.904 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.202 -11.121 9.091 1.00 0.00 H new ATOM 442 N MET A 28 5.838 -10.107 5.162 1.00 0.00 N ATOM 443 CA MET A 28 5.496 -8.793 4.616 1.00 0.00 C ATOM 444 C MET A 28 4.207 -8.822 3.796 1.00 0.00 C ATOM 445 O MET A 28 3.340 -7.964 3.955 1.00 0.00 O ATOM 446 CB MET A 28 6.639 -8.267 3.746 1.00 0.00 C ATOM 447 CG MET A 28 7.953 -8.109 4.490 1.00 0.00 C ATOM 448 SD MET A 28 9.261 -7.448 3.443 1.00 0.00 S ATOM 449 CE MET A 28 10.633 -7.426 4.590 1.00 0.00 C ATOM 0 H MET A 28 6.435 -10.671 4.557 1.00 0.00 H new ATOM 0 HA MET A 28 5.337 -8.128 5.465 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.787 -8.947 2.907 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.351 -7.303 3.328 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.806 -7.448 5.344 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.262 -9.077 4.885 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.520 -7.040 4.088 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.388 -6.786 5.438 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.828 -8.438 4.944 1.00 0.00 H new ATOM 459 N LEU A 29 4.102 -9.808 2.912 1.00 0.00 N ATOM 460 CA LEU A 29 2.933 -9.965 2.039 1.00 0.00 C ATOM 461 C LEU A 29 1.645 -10.015 2.859 1.00 0.00 C ATOM 462 O LEU A 29 0.638 -9.410 2.492 1.00 0.00 O ATOM 463 CB LEU A 29 3.092 -11.240 1.195 1.00 0.00 C ATOM 464 CG LEU A 29 2.077 -11.456 0.079 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.974 -10.224 -0.792 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.482 -12.657 -0.760 1.00 0.00 C ATOM 0 H LEU A 29 4.819 -10.521 2.777 1.00 0.00 H new ATOM 0 HA LEU A 29 2.868 -9.104 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.088 -11.232 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.048 -12.099 1.865 1.00 0.00 H new ATOM 0 HG LEU A 29 1.101 -11.644 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.244 -10.398 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.657 -9.375 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.946 -10.010 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.753 -12.807 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.465 -12.481 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.519 -13.545 -0.130 1.00 0.00 H new ATOM 478 N GLU A 30 1.694 -10.728 3.982 1.00 0.00 N ATOM 479 CA GLU A 30 0.538 -10.844 4.870 1.00 0.00 C ATOM 480 C GLU A 30 0.131 -9.479 5.405 1.00 0.00 C ATOM 481 O GLU A 30 -1.042 -9.229 5.686 1.00 0.00 O ATOM 482 CB GLU A 30 0.857 -11.774 6.042 1.00 0.00 C ATOM 483 CG GLU A 30 -0.249 -11.843 7.086 1.00 0.00 C ATOM 484 CD GLU A 30 0.090 -12.779 8.232 1.00 0.00 C ATOM 485 OE1 GLU A 30 0.299 -13.982 7.972 1.00 0.00 O ATOM 486 OE2 GLU A 30 0.144 -12.306 9.387 1.00 0.00 O ATOM 0 H GLU A 30 2.521 -11.234 4.299 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.288 -11.260 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.045 -12.777 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.777 -11.438 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.435 -10.844 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.172 -12.175 6.611 1.00 0.00 H new ATOM 493 N LYS A 31 1.112 -8.601 5.549 1.00 0.00 N ATOM 494 CA LYS A 31 0.868 -7.258 6.055 1.00 0.00 C ATOM 495 C LYS A 31 0.482 -6.351 4.910 1.00 0.00 C ATOM 496 O LYS A 31 -0.281 -5.397 5.065 1.00 0.00 O ATOM 497 CB LYS A 31 2.111 -6.730 6.761 1.00 0.00 C ATOM 498 CG LYS A 31 2.795 -7.792 7.592 1.00 0.00 C ATOM 499 CD LYS A 31 1.862 -8.378 8.641 1.00 0.00 C ATOM 500 CE LYS A 31 2.493 -9.569 9.343 1.00 0.00 C ATOM 501 NZ LYS A 31 3.757 -9.200 10.040 1.00 0.00 N ATOM 0 H LYS A 31 2.087 -8.795 5.322 1.00 0.00 H new ATOM 0 HA LYS A 31 0.051 -7.285 6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.811 -6.345 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.834 -5.893 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.154 -8.588 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.669 -7.363 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.611 -7.612 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.929 -8.685 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.787 -9.980 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.696 -10.354 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.913 -9.845 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.554 -9.274 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.688 -8.223 10.390 1.00 0.00 H new ATOM 515 N LEU A 32 1.026 -6.676 3.754 1.00 0.00 N ATOM 516 CA LEU A 32 0.768 -5.933 2.549 1.00 0.00 C ATOM 517 C LEU A 32 -0.673 -6.122 2.112 1.00 0.00 C ATOM 518 O LEU A 32 -1.247 -5.273 1.433 1.00 0.00 O ATOM 519 CB LEU A 32 1.737 -6.373 1.467 1.00 0.00 C ATOM 520 CG LEU A 32 1.685 -5.524 0.204 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.889 -4.057 0.549 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.726 -5.989 -0.792 1.00 0.00 C ATOM 0 H LEU A 32 1.660 -7.465 3.630 1.00 0.00 H new ATOM 0 HA LEU A 32 0.918 -4.870 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.750 -6.346 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.525 -7.410 1.204 1.00 0.00 H new ATOM 0 HG LEU A 32 0.702 -5.639 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.850 -3.460 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.103 -3.731 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.860 -3.927 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.674 -5.371 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.718 -5.903 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.537 -7.029 -1.057 1.00 0.00 H new ATOM 534 N GLU A 33 -1.268 -7.236 2.520 1.00 0.00 N ATOM 535 CA GLU A 33 -2.662 -7.504 2.188 1.00 0.00 C ATOM 536 C GLU A 33 -3.568 -6.859 3.224 1.00 0.00 C ATOM 537 O GLU A 33 -4.579 -6.247 2.884 1.00 0.00 O ATOM 538 CB GLU A 33 -2.949 -9.001 2.102 1.00 0.00 C ATOM 539 CG GLU A 33 -2.840 -9.731 3.431 1.00 0.00 C ATOM 540 CD GLU A 33 -3.345 -11.161 3.362 1.00 0.00 C ATOM 541 OE1 GLU A 33 -3.868 -11.557 2.300 1.00 0.00 O ATOM 542 OE2 GLU A 33 -3.225 -11.881 4.375 1.00 0.00 O ATOM 0 H GLU A 33 -0.814 -7.961 3.075 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.860 -7.075 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.952 -9.145 1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.255 -9.453 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.799 -9.734 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.407 -9.187 4.186 1.00 0.00 H new ATOM 549 N VAL A 34 -3.190 -7.001 4.495 1.00 0.00 N ATOM 550 CA VAL A 34 -3.968 -6.428 5.578 1.00 0.00 C ATOM 551 C VAL A 34 -3.981 -4.909 5.479 1.00 0.00 C ATOM 552 O VAL A 34 -4.991 -4.276 5.793 1.00 0.00 O ATOM 553 CB VAL A 34 -3.472 -6.871 6.966 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.674 -8.368 7.149 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.018 -6.502 7.170 1.00 0.00 C ATOM 0 H VAL A 34 -2.355 -7.505 4.792 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.985 -6.805 5.470 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.060 -6.345 7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.318 -8.665 8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.734 -8.606 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.115 -8.907 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.695 -6.827 8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.408 -6.991 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.902 -5.421 7.088 1.00 0.00 H new ATOM 565 N VAL A 35 -2.876 -4.318 5.007 1.00 0.00 N ATOM 566 CA VAL A 35 -2.841 -2.871 4.842 1.00 0.00 C ATOM 567 C VAL A 35 -4.002 -2.479 3.950 1.00 0.00 C ATOM 568 O VAL A 35 -4.814 -1.630 4.306 1.00 0.00 O ATOM 569 CB VAL A 35 -1.531 -2.343 4.208 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.369 -2.390 5.180 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.192 -3.102 2.946 1.00 0.00 C ATOM 0 H VAL A 35 -2.021 -4.807 4.741 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.904 -2.429 5.836 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.704 -1.298 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.529 -2.010 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.597 -1.774 6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.202 -3.419 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.267 -2.710 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.064 -4.159 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.000 -2.986 2.223 1.00 0.00 H new ATOM 581 N VAL A 36 -4.100 -3.139 2.798 1.00 0.00 N ATOM 582 CA VAL A 36 -5.195 -2.871 1.885 1.00 0.00 C ATOM 583 C VAL A 36 -6.484 -3.490 2.404 1.00 0.00 C ATOM 584 O VAL A 36 -7.568 -3.087 2.029 1.00 0.00 O ATOM 585 CB VAL A 36 -4.940 -3.348 0.444 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.794 -2.147 -0.478 1.00 0.00 C ATOM 587 CG2 VAL A 36 -3.742 -4.281 0.363 1.00 0.00 C ATOM 0 H VAL A 36 -3.442 -3.852 2.483 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.283 -1.785 1.844 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.800 -3.930 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.614 -2.490 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.708 -1.554 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.955 -1.535 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.595 -4.596 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.851 -3.760 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.920 -5.157 0.987 1.00 0.00 H new ATOM 597 N ASN A 37 -6.373 -4.468 3.286 1.00 0.00 N ATOM 598 CA ASN A 37 -7.565 -5.085 3.847 1.00 0.00 C ATOM 599 C ASN A 37 -8.433 -3.991 4.437 1.00 0.00 C ATOM 600 O ASN A 37 -9.660 -4.006 4.314 1.00 0.00 O ATOM 601 CB ASN A 37 -7.181 -6.104 4.923 1.00 0.00 C ATOM 602 CG ASN A 37 -8.375 -6.804 5.537 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.316 -6.166 6.012 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.333 -8.131 5.550 1.00 0.00 N ATOM 0 H ASN A 37 -5.489 -4.847 3.625 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.114 -5.614 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.516 -6.849 4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.621 -5.598 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.099 -8.661 5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.534 -8.620 5.145 1.00 0.00 H new ATOM 611 N GLU A 38 -7.767 -3.020 5.050 1.00 0.00 N ATOM 612 CA GLU A 38 -8.447 -1.879 5.642 1.00 0.00 C ATOM 613 C GLU A 38 -8.747 -0.829 4.576 1.00 0.00 C ATOM 614 O GLU A 38 -9.834 -0.259 4.541 1.00 0.00 O ATOM 615 CB GLU A 38 -7.595 -1.268 6.755 1.00 0.00 C ATOM 616 CG GLU A 38 -7.282 -2.234 7.889 1.00 0.00 C ATOM 617 CD GLU A 38 -8.520 -2.676 8.649 1.00 0.00 C ATOM 618 OE1 GLU A 38 -9.626 -2.196 8.321 1.00 0.00 O ATOM 619 OE2 GLU A 38 -8.380 -3.497 9.580 1.00 0.00 O ATOM 0 H GLU A 38 -6.752 -3.002 5.149 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.388 -2.223 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.659 -0.908 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.114 -0.400 7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.779 -3.112 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.587 -1.760 8.582 1.00 0.00 H new ATOM 626 N ARG A 39 -7.769 -0.584 3.703 1.00 0.00 N ATOM 627 CA ARG A 39 -7.922 0.393 2.625 1.00 0.00 C ATOM 628 C ARG A 39 -8.910 -0.094 1.576 1.00 0.00 C ATOM 629 O ARG A 39 -9.864 0.591 1.243 1.00 0.00 O ATOM 630 CB ARG A 39 -6.582 0.669 1.954 1.00 0.00 C ATOM 631 CG ARG A 39 -5.681 1.631 2.705 1.00 0.00 C ATOM 632 CD ARG A 39 -5.299 1.097 4.069 1.00 0.00 C ATOM 633 NE ARG A 39 -6.389 1.190 5.035 1.00 0.00 N ATOM 634 CZ ARG A 39 -6.951 2.335 5.408 1.00 0.00 C ATOM 635 NH1 ARG A 39 -6.535 3.478 4.889 1.00 0.00 N ATOM 636 NH2 ARG A 39 -7.936 2.334 6.294 1.00 0.00 N ATOM 0 H ARG A 39 -6.862 -1.049 3.722 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.303 1.311 3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.054 -0.276 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.766 1.069 0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.779 1.815 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.188 2.589 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.991 0.056 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.438 1.651 4.444 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.740 0.326 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.782 3.482 4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.967 4.356 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.264 1.454 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.366 3.214 6.579 1.00 0.00 H new ATOM 650 N ARG A 40 -8.667 -1.281 1.055 1.00 0.00 N ATOM 651 CA ARG A 40 -9.546 -1.858 0.035 1.00 0.00 C ATOM 652 C ARG A 40 -11.008 -1.701 0.445 1.00 0.00 C ATOM 653 O ARG A 40 -11.867 -1.393 -0.382 1.00 0.00 O ATOM 654 CB ARG A 40 -9.232 -3.345 -0.211 1.00 0.00 C ATOM 655 CG ARG A 40 -7.961 -3.602 -1.015 1.00 0.00 C ATOM 656 CD ARG A 40 -8.127 -3.212 -2.477 1.00 0.00 C ATOM 657 NE ARG A 40 -8.352 -1.779 -2.653 1.00 0.00 N ATOM 658 CZ ARG A 40 -8.585 -1.208 -3.830 1.00 0.00 C ATOM 659 NH1 ARG A 40 -8.627 -1.945 -4.932 1.00 0.00 N ATOM 660 NH2 ARG A 40 -8.778 0.101 -3.907 1.00 0.00 N ATOM 0 H ARG A 40 -7.874 -1.869 1.314 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.369 -1.317 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.145 -3.848 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.074 -3.799 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.136 -3.038 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.696 -4.657 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.236 -3.507 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.965 -3.763 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.329 -1.183 -1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.480 -2.953 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.806 -1.504 -5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.748 0.672 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.957 0.538 -4.811 1.00 0.00 H new ATOM 674 N GLU A 41 -11.282 -1.926 1.729 1.00 0.00 N ATOM 675 CA GLU A 41 -12.643 -1.822 2.254 1.00 0.00 C ATOM 676 C GLU A 41 -13.038 -0.382 2.615 1.00 0.00 C ATOM 677 O GLU A 41 -14.194 0.006 2.446 1.00 0.00 O ATOM 678 CB GLU A 41 -12.797 -2.718 3.484 1.00 0.00 C ATOM 679 CG GLU A 41 -12.560 -4.192 3.198 1.00 0.00 C ATOM 680 CD GLU A 41 -12.728 -5.060 4.429 1.00 0.00 C ATOM 681 OE1 GLU A 41 -13.836 -5.062 5.006 1.00 0.00 O ATOM 682 OE2 GLU A 41 -11.753 -5.740 4.815 1.00 0.00 O ATOM 0 H GLU A 41 -10.581 -2.181 2.424 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.313 -2.150 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.098 -2.389 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.800 -2.592 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.254 -4.525 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.554 -4.324 2.800 1.00 0.00 H new ATOM 689 N GLU A 42 -12.090 0.398 3.135 1.00 0.00 N ATOM 690 CA GLU A 42 -12.371 1.779 3.542 1.00 0.00 C ATOM 691 C GLU A 42 -12.362 2.728 2.351 1.00 0.00 C ATOM 692 O GLU A 42 -13.225 3.594 2.227 1.00 0.00 O ATOM 693 CB GLU A 42 -11.354 2.242 4.587 1.00 0.00 C ATOM 694 CG GLU A 42 -11.627 3.638 5.125 1.00 0.00 C ATOM 695 CD GLU A 42 -10.633 4.055 6.191 1.00 0.00 C ATOM 696 OE1 GLU A 42 -10.549 3.362 7.227 1.00 0.00 O ATOM 697 OE2 GLU A 42 -9.941 5.076 5.992 1.00 0.00 O ATOM 0 H GLU A 42 -11.126 0.101 3.285 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.370 1.797 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.351 1.536 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.357 2.220 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.595 4.353 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.635 3.674 5.539 1.00 0.00 H new ATOM 704 N GLU A 43 -11.378 2.563 1.486 1.00 0.00 N ATOM 705 CA GLU A 43 -11.246 3.400 0.303 1.00 0.00 C ATOM 706 C GLU A 43 -12.499 3.328 -0.553 1.00 0.00 C ATOM 707 O GLU A 43 -13.038 4.358 -0.960 1.00 0.00 O ATOM 708 CB GLU A 43 -10.026 2.983 -0.504 1.00 0.00 C ATOM 709 CG GLU A 43 -8.779 3.760 -0.129 1.00 0.00 C ATOM 710 CD GLU A 43 -8.865 5.227 -0.507 1.00 0.00 C ATOM 711 OE1 GLU A 43 -9.896 5.637 -1.081 1.00 0.00 O ATOM 712 OE2 GLU A 43 -7.897 5.967 -0.232 1.00 0.00 O ATOM 0 H GLU A 43 -10.653 1.852 1.580 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.115 4.433 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.844 1.919 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.232 3.125 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.613 3.675 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.916 3.313 -0.621 1.00 0.00 H new ATOM 719 N SER A 44 -12.976 2.113 -0.800 1.00 0.00 N ATOM 720 CA SER A 44 -14.190 1.932 -1.578 1.00 0.00 C ATOM 721 C SER A 44 -15.307 2.720 -0.913 1.00 0.00 C ATOM 722 O SER A 44 -16.178 3.289 -1.573 1.00 0.00 O ATOM 723 CB SER A 44 -14.557 0.449 -1.665 1.00 0.00 C ATOM 724 OG SER A 44 -13.552 -0.288 -2.338 1.00 0.00 O ATOM 0 H SER A 44 -12.544 1.248 -0.475 1.00 0.00 H new ATOM 0 HA SER A 44 -14.035 2.294 -2.594 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.697 0.047 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.506 0.337 -2.188 1.00 0.00 H new ATOM 0 HG SER A 44 -12.944 -0.687 -1.681 1.00 0.00 H new ATOM 730 N ALA A 45 -15.238 2.761 0.413 1.00 0.00 N ATOM 731 CA ALA A 45 -16.197 3.490 1.223 1.00 0.00 C ATOM 732 C ALA A 45 -16.029 4.994 1.022 1.00 0.00 C ATOM 733 O ALA A 45 -17.007 5.732 0.917 1.00 0.00 O ATOM 734 CB ALA A 45 -16.010 3.124 2.687 1.00 0.00 C ATOM 0 H ALA A 45 -14.514 2.288 0.954 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.206 3.216 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.731 3.672 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.166 2.053 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.999 3.384 3.001 1.00 0.00 H new ATOM 740 N ALA A 46 -14.771 5.435 0.965 1.00 0.00 N ATOM 741 CA ALA A 46 -14.454 6.843 0.769 1.00 0.00 C ATOM 742 C ALA A 46 -14.984 7.338 -0.571 1.00 0.00 C ATOM 743 O ALA A 46 -15.483 8.456 -0.680 1.00 0.00 O ATOM 744 CB ALA A 46 -12.948 7.061 0.857 1.00 0.00 C ATOM 0 H ALA A 46 -13.954 4.830 1.053 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.940 7.416 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.724 8.117 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.592 6.749 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.450 6.473 0.086 1.00 0.00 H new ATOM 947 N GLU B 2 -10.210 -7.892 -2.042 1.00 0.00 N ATOM 948 CA GLU B 2 -9.295 -7.815 -3.173 1.00 0.00 C ATOM 949 C GLU B 2 -7.844 -7.867 -2.707 1.00 0.00 C ATOM 950 O GLU B 2 -6.956 -8.242 -3.466 1.00 0.00 O ATOM 951 CB GLU B 2 -9.544 -6.533 -3.973 1.00 0.00 C ATOM 952 CG GLU B 2 -8.696 -6.426 -5.230 1.00 0.00 C ATOM 953 CD GLU B 2 -8.989 -5.170 -6.027 1.00 0.00 C ATOM 954 OE1 GLU B 2 -10.153 -4.989 -6.440 1.00 0.00 O ATOM 955 OE2 GLU B 2 -8.053 -4.371 -6.239 1.00 0.00 O ATOM 0 HA GLU B 2 -9.480 -8.676 -3.815 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.597 -6.486 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.344 -5.672 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.642 -6.439 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.872 -7.299 -5.858 1.00 0.00 H new ATOM 962 N ALA B 3 -7.617 -7.495 -1.451 1.00 0.00 N ATOM 963 CA ALA B 3 -6.276 -7.503 -0.871 1.00 0.00 C ATOM 964 C ALA B 3 -5.965 -8.874 -0.308 1.00 0.00 C ATOM 965 O ALA B 3 -4.811 -9.254 -0.119 1.00 0.00 O ATOM 966 CB ALA B 3 -6.168 -6.450 0.217 1.00 0.00 C ATOM 0 H ALA B 3 -8.348 -7.183 -0.812 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.552 -7.270 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.164 -6.466 0.641 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.366 -5.466 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -6.896 -6.660 1.000 1.00 0.00 H new ATOM 972 N LEU B 4 -7.025 -9.594 -0.032 1.00 0.00 N ATOM 973 CA LEU B 4 -6.953 -10.920 0.522 1.00 0.00 C ATOM 974 C LEU B 4 -6.757 -11.942 -0.591 1.00 0.00 C ATOM 975 O LEU B 4 -5.971 -12.880 -0.469 1.00 0.00 O ATOM 976 CB LEU B 4 -8.259 -11.176 1.261 1.00 0.00 C ATOM 977 CG LEU B 4 -8.916 -9.916 1.840 1.00 0.00 C ATOM 978 CD1 LEU B 4 -10.161 -10.279 2.624 1.00 0.00 C ATOM 979 CD2 LEU B 4 -7.939 -9.124 2.698 1.00 0.00 C ATOM 0 H LEU B 4 -7.978 -9.267 -0.190 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.108 -11.010 1.205 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -8.960 -11.656 0.579 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.072 -11.879 2.073 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.210 -9.277 1.008 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -10.614 -9.373 3.027 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.872 -10.779 1.966 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -9.893 -10.947 3.443 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -8.437 -8.238 3.092 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -7.595 -9.745 3.525 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -7.085 -8.821 2.092 1.00 0.00 H new ATOM 991 N LYS B 5 -7.496 -11.737 -1.674 1.00 0.00 N ATOM 992 CA LYS B 5 -7.449 -12.610 -2.838 1.00 0.00 C ATOM 993 C LYS B 5 -6.306 -12.220 -3.778 1.00 0.00 C ATOM 994 O LYS B 5 -5.817 -13.052 -4.542 1.00 0.00 O ATOM 995 CB LYS B 5 -8.798 -12.564 -3.565 1.00 0.00 C ATOM 996 CG LYS B 5 -8.926 -13.561 -4.705 1.00 0.00 C ATOM 997 CD LYS B 5 -8.268 -13.050 -5.974 1.00 0.00 C ATOM 998 CE LYS B 5 -8.383 -14.058 -7.106 1.00 0.00 C ATOM 999 NZ LYS B 5 -7.721 -13.576 -8.349 1.00 0.00 N ATOM 0 H LYS B 5 -8.147 -10.957 -1.769 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.258 -13.630 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -9.593 -12.750 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -8.952 -11.559 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -8.470 -14.507 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -9.980 -13.761 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -8.733 -12.111 -6.273 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -7.217 -12.838 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -7.934 -15.002 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -9.435 -14.257 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -7.822 -14.292 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -8.166 -12.688 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.711 -13.410 -8.163 1.00 0.00 H new ATOM 1013 N ILE B 6 -5.872 -10.959 -3.711 1.00 0.00 N ATOM 1014 CA ILE B 6 -4.786 -10.488 -4.559 1.00 0.00 C ATOM 1015 C ILE B 6 -3.599 -11.414 -4.395 1.00 0.00 C ATOM 1016 O ILE B 6 -3.071 -11.961 -5.362 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.372 -9.037 -4.197 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.224 -8.557 -5.086 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -3.982 -8.943 -2.735 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -1.855 -9.066 -4.678 1.00 0.00 C ATOM 0 H ILE B 6 -6.256 -10.254 -3.082 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.127 -10.488 -5.594 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.231 -8.389 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -3.422 -8.868 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.209 -7.467 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.695 -7.918 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -4.829 -9.234 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.142 -9.609 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.103 -8.676 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.630 -8.733 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.847 -10.155 -4.712 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.215 -11.599 -3.150 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.126 -12.476 -2.804 1.00 0.00 C ATOM 1034 C LEU B 7 -2.689 -13.850 -2.478 1.00 0.00 C ATOM 1035 O LEU B 7 -1.951 -14.819 -2.298 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.340 -11.894 -1.615 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.465 -12.645 -0.281 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.446 -13.772 -0.188 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.302 -11.687 0.882 1.00 0.00 C ATOM 0 H LEU B 7 -3.653 -11.142 -2.350 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.435 -12.569 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.285 -11.856 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.666 -10.866 -1.460 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.460 -13.087 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.558 -14.286 0.767 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.610 -14.478 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.560 -13.360 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.393 -12.235 1.820 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.320 -11.216 0.831 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.075 -10.920 0.833 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.020 -13.914 -2.392 1.00 0.00 N ATOM 1052 CA ASN B 8 -4.709 -15.156 -2.065 1.00 0.00 C ATOM 1053 C ASN B 8 -4.334 -15.593 -0.655 1.00 0.00 C ATOM 1054 O ASN B 8 -4.402 -16.774 -0.316 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.361 -16.256 -3.072 1.00 0.00 C ATOM 1056 CG ASN B 8 -4.799 -15.913 -4.482 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -5.985 -15.715 -4.744 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -3.841 -15.840 -5.399 1.00 0.00 N ATOM 0 H ASN B 8 -4.639 -13.118 -2.545 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.784 -14.982 -2.115 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.284 -16.427 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.835 -17.188 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.076 -15.612 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.870 -16.012 -5.137 1.00 0.00 H new ATOM 1065 N ASN B 9 -3.945 -14.612 0.159 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.557 -14.849 1.543 1.00 0.00 C ATOM 1067 C ASN B 9 -2.345 -15.775 1.638 1.00 0.00 C ATOM 1068 O ASN B 9 -2.335 -16.873 1.084 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.744 -15.408 2.328 1.00 0.00 C ATOM 1070 CG ASN B 9 -5.847 -14.376 2.477 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -5.697 -13.393 3.202 1.00 0.00 O ATOM 1072 ND2 ASN B 9 -6.955 -14.582 1.773 1.00 0.00 N ATOM 0 H ASN B 9 -3.891 -13.634 -0.125 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.263 -13.897 1.984 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -5.135 -16.289 1.820 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.410 -15.730 3.314 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -7.722 -13.912 1.822 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -7.038 -15.411 1.184 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.321 -15.301 2.344 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.078 -16.048 2.531 1.00 0.00 C ATOM 1081 C ILE B 10 -0.333 -17.501 2.923 1.00 0.00 C ATOM 1082 O ILE B 10 0.447 -18.385 2.580 1.00 0.00 O ATOM 1083 CB ILE B 10 0.827 -15.379 3.586 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.114 -15.264 4.943 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.278 -14.012 3.089 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -1.013 -14.248 4.976 1.00 0.00 C ATOM 0 H ILE B 10 -1.329 -14.390 2.802 1.00 0.00 H new ATOM 0 HA ILE B 10 0.432 -16.039 1.568 1.00 0.00 H new ATOM 0 HB ILE B 10 1.706 -16.007 3.735 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.286 -16.241 5.213 1.00 0.00 H new ATOM 0 HG13 ILE B 10 0.848 -14.999 5.704 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.917 -13.545 3.839 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.835 -14.128 2.159 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.405 -13.383 2.913 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.460 -14.233 5.970 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.619 -13.260 4.740 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.771 -14.521 4.242 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.424 -17.747 3.639 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.764 -19.103 4.063 1.00 0.00 C ATOM 1100 C ARG B 11 -1.874 -20.042 2.861 1.00 0.00 C ATOM 1101 O ARG B 11 -1.278 -21.122 2.843 1.00 0.00 O ATOM 1102 CB ARG B 11 -3.077 -19.098 4.848 1.00 0.00 C ATOM 1103 CG ARG B 11 -4.235 -18.449 4.103 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.533 -18.494 4.901 1.00 0.00 C ATOM 1105 NE ARG B 11 -6.049 -19.854 5.059 1.00 0.00 N ATOM 1106 CZ ARG B 11 -5.613 -20.719 5.972 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -4.705 -20.353 6.866 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -6.104 -21.952 6.004 1.00 0.00 N ATOM 0 H ARG B 11 -2.086 -17.031 3.938 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.965 -19.467 4.708 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -3.346 -20.125 5.095 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.924 -18.573 5.791 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.985 -17.412 3.879 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.380 -18.955 3.149 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.366 -18.056 5.885 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.283 -17.880 4.402 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.791 -20.159 4.429 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.335 -19.402 6.858 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -4.376 -21.022 7.562 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.815 -22.236 5.329 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.771 -22.616 6.703 1.00 0.00 H new ATOM 1122 N THR B 12 -2.636 -19.625 1.858 1.00 0.00 N ATOM 1123 CA THR B 12 -2.826 -20.423 0.655 1.00 0.00 C ATOM 1124 C THR B 12 -1.639 -20.291 -0.294 1.00 0.00 C ATOM 1125 O THR B 12 -1.249 -21.254 -0.960 1.00 0.00 O ATOM 1126 CB THR B 12 -4.113 -20.017 -0.089 1.00 0.00 C ATOM 1127 OG1 THR B 12 -5.250 -20.199 0.762 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.289 -20.838 -1.359 1.00 0.00 C ATOM 0 H THR B 12 -3.134 -18.735 1.855 1.00 0.00 H new ATOM 0 HA THR B 12 -2.911 -21.461 0.977 1.00 0.00 H new ATOM 0 HB THR B 12 -4.029 -18.966 -0.364 1.00 0.00 H new ATOM 0 HG1 THR B 12 -6.063 -19.937 0.282 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.204 -20.532 -1.866 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.437 -20.675 -2.019 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.352 -21.896 -1.103 1.00 0.00 H new ATOM 1136 N LEU B 13 -1.079 -19.086 -0.364 1.00 0.00 N ATOM 1137 CA LEU B 13 0.049 -18.819 -1.248 1.00 0.00 C ATOM 1138 C LEU B 13 1.259 -19.674 -0.887 1.00 0.00 C ATOM 1139 O LEU B 13 1.792 -20.378 -1.739 1.00 0.00 O ATOM 1140 CB LEU B 13 0.424 -17.335 -1.213 1.00 0.00 C ATOM 1141 CG LEU B 13 1.526 -16.918 -2.197 1.00 0.00 C ATOM 1142 CD1 LEU B 13 1.579 -15.406 -2.324 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.879 -17.455 -1.754 1.00 0.00 C ATOM 0 H LEU B 13 -1.388 -18.281 0.181 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.260 -19.082 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.469 -16.746 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.745 -17.081 -0.203 1.00 0.00 H new ATOM 0 HG LEU B 13 1.289 -17.345 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU B 13 2.365 -15.127 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.620 -15.038 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.789 -14.966 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.644 -17.147 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU B 13 3.122 -17.060 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.842 -18.543 -1.710 1.00 0.00 H new ATOM 1155 N ARG B 14 1.699 -19.598 0.367 1.00 0.00 N ATOM 1156 CA ARG B 14 2.863 -20.364 0.813 1.00 0.00 C ATOM 1157 C ARG B 14 2.795 -21.803 0.328 1.00 0.00 C ATOM 1158 O ARG B 14 3.817 -22.421 0.040 1.00 0.00 O ATOM 1159 CB ARG B 14 2.971 -20.353 2.339 1.00 0.00 C ATOM 1160 CG ARG B 14 3.313 -18.997 2.927 1.00 0.00 C ATOM 1161 CD ARG B 14 3.524 -19.094 4.429 1.00 0.00 C ATOM 1162 NE ARG B 14 4.633 -19.983 4.766 1.00 0.00 N ATOM 1163 CZ ARG B 14 5.015 -20.249 6.012 1.00 0.00 C ATOM 1164 NH1 ARG B 14 4.376 -19.699 7.036 1.00 0.00 N ATOM 1165 NH2 ARG B 14 6.037 -21.063 6.233 1.00 0.00 N ATOM 0 H ARG B 14 1.271 -19.018 1.089 1.00 0.00 H new ATOM 0 HA ARG B 14 3.745 -19.887 0.385 1.00 0.00 H new ATOM 0 HB2 ARG B 14 2.025 -20.692 2.762 1.00 0.00 H new ATOM 0 HB3 ARG B 14 3.732 -21.071 2.644 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.214 -18.608 2.454 1.00 0.00 H new ATOM 0 HG3 ARG B 14 2.511 -18.291 2.713 1.00 0.00 H new ATOM 0 HD2 ARG B 14 3.719 -18.101 4.833 1.00 0.00 H new ATOM 0 HD3 ARG B 14 2.611 -19.457 4.901 1.00 0.00 H new ATOM 0 HE ARG B 14 5.144 -20.425 4.002 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.590 -19.071 6.869 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.671 -19.904 7.991 1.00 0.00 H new ATOM 0 HH21 ARG B 14 6.531 -21.486 5.447 1.00 0.00 H new ATOM 0 HH22 ARG B 14 6.329 -21.267 7.189 1.00 0.00 H new ATOM 1179 N ALA B 15 1.582 -22.331 0.255 1.00 0.00 N ATOM 1180 CA ALA B 15 1.370 -23.707 -0.181 1.00 0.00 C ATOM 1181 C ALA B 15 1.451 -23.843 -1.694 1.00 0.00 C ATOM 1182 O ALA B 15 2.163 -24.704 -2.211 1.00 0.00 O ATOM 1183 CB ALA B 15 0.024 -24.204 0.301 1.00 0.00 C ATOM 0 H ALA B 15 0.727 -21.828 0.492 1.00 0.00 H new ATOM 0 HA ALA B 15 2.166 -24.312 0.254 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -0.124 -25.232 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -0.010 -24.165 1.390 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.765 -23.574 -0.109 1.00 0.00 H new ATOM 1189 N GLN B 16 0.713 -22.997 -2.405 1.00 0.00 N ATOM 1190 CA GLN B 16 0.710 -23.047 -3.866 1.00 0.00 C ATOM 1191 C GLN B 16 2.075 -22.658 -4.410 1.00 0.00 C ATOM 1192 O GLN B 16 2.505 -23.131 -5.461 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.393 -22.148 -4.441 1.00 0.00 C ATOM 1194 CG GLN B 16 -0.443 -20.755 -3.831 1.00 0.00 C ATOM 1195 CD GLN B 16 0.373 -19.727 -4.594 1.00 0.00 C ATOM 1196 OE1 GLN B 16 1.535 -19.950 -4.919 1.00 0.00 O ATOM 1197 NE2 GLN B 16 -0.238 -18.577 -4.863 1.00 0.00 N ATOM 0 H GLN B 16 0.115 -22.276 -2.001 1.00 0.00 H new ATOM 0 HA GLN B 16 0.498 -24.070 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.247 -22.056 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.357 -22.633 -4.290 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -1.480 -20.424 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -0.081 -20.804 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -1.206 -18.434 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN B 16 0.261 -17.838 -5.358 1.00 0.00 H new ATOM 1206 N ALA B 17 2.752 -21.808 -3.660 1.00 0.00 N ATOM 1207 CA ALA B 17 4.081 -21.346 -4.010 1.00 0.00 C ATOM 1208 C ALA B 17 5.127 -22.304 -3.478 1.00 0.00 C ATOM 1209 O ALA B 17 6.240 -22.365 -3.990 1.00 0.00 O ATOM 1210 CB ALA B 17 4.326 -19.956 -3.464 1.00 0.00 C ATOM 0 H ALA B 17 2.394 -21.418 -2.788 1.00 0.00 H new ATOM 0 HA ALA B 17 4.154 -21.309 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.329 -19.629 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.593 -19.266 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.233 -19.970 -2.378 1.00 0.00 H new ATOM 1216 N ARG B 18 4.752 -23.041 -2.433 1.00 0.00 N ATOM 1217 CA ARG B 18 5.654 -24.002 -1.808 1.00 0.00 C ATOM 1218 C ARG B 18 6.422 -24.778 -2.870 1.00 0.00 C ATOM 1219 O ARG B 18 7.572 -25.165 -2.666 1.00 0.00 O ATOM 1220 CB ARG B 18 4.862 -24.972 -0.930 1.00 0.00 C ATOM 1221 CG ARG B 18 5.724 -25.828 -0.014 1.00 0.00 C ATOM 1222 CD ARG B 18 6.409 -24.988 1.053 1.00 0.00 C ATOM 1223 NE ARG B 18 7.515 -24.199 0.516 1.00 0.00 N ATOM 1224 CZ ARG B 18 8.621 -24.731 0.004 1.00 0.00 C ATOM 1225 NH1 ARG B 18 8.773 -26.048 -0.038 1.00 0.00 N ATOM 1226 NH2 ARG B 18 9.580 -23.944 -0.467 1.00 0.00 N ATOM 0 H ARG B 18 3.829 -22.989 -2.003 1.00 0.00 H new ATOM 0 HA ARG B 18 6.365 -23.457 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.159 -24.403 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.272 -25.626 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG B 18 5.106 -26.589 0.462 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.476 -26.351 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG B 18 5.679 -24.321 1.510 1.00 0.00 H new ATOM 0 HD3 ARG B 18 6.782 -25.641 1.842 1.00 0.00 H new ATOM 0 HE ARG B 18 7.434 -23.182 0.535 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.040 -26.658 0.323 1.00 0.00 H new ATOM 0 HH12 ARG B 18 9.623 -26.451 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.469 -22.931 -0.436 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.428 -24.353 -0.860 1.00 0.00 H new ATOM 1240 N GLU B 19 5.770 -25.001 -4.007 1.00 0.00 N ATOM 1241 CA GLU B 19 6.385 -25.733 -5.107 1.00 0.00 C ATOM 1242 C GLU B 19 7.070 -24.790 -6.098 1.00 0.00 C ATOM 1243 O GLU B 19 7.094 -25.061 -7.298 1.00 0.00 O ATOM 1244 CB GLU B 19 5.331 -26.572 -5.836 1.00 0.00 C ATOM 1245 CG GLU B 19 4.637 -27.592 -4.948 1.00 0.00 C ATOM 1246 CD GLU B 19 5.585 -28.649 -4.410 1.00 0.00 C ATOM 1247 OE1 GLU B 19 6.522 -28.285 -3.668 1.00 0.00 O ATOM 1248 OE2 GLU B 19 5.387 -29.839 -4.730 1.00 0.00 O ATOM 0 H GLU B 19 4.817 -24.686 -4.190 1.00 0.00 H new ATOM 0 HA GLU B 19 7.146 -26.389 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.581 -25.906 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.806 -27.092 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.164 -27.076 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU B 19 3.842 -28.078 -5.514 1.00 0.00 H new ATOM 1255 N SER B 20 7.628 -23.688 -5.597 1.00 0.00 N ATOM 1256 CA SER B 20 8.309 -22.723 -6.459 1.00 0.00 C ATOM 1257 C SER B 20 9.203 -21.781 -5.652 1.00 0.00 C ATOM 1258 O SER B 20 9.569 -22.077 -4.514 1.00 0.00 O ATOM 1259 CB SER B 20 7.281 -21.906 -7.249 1.00 0.00 C ATOM 1260 OG SER B 20 6.472 -22.740 -8.061 1.00 0.00 O ATOM 0 H SER B 20 7.622 -23.443 -4.607 1.00 0.00 H new ATOM 0 HA SER B 20 8.941 -23.283 -7.148 1.00 0.00 H new ATOM 0 HB2 SER B 20 6.651 -21.346 -6.558 1.00 0.00 H new ATOM 0 HB3 SER B 20 7.796 -21.176 -7.874 1.00 0.00 H new ATOM 0 HG SER B 20 6.868 -23.635 -8.107 1.00 0.00 H new ATOM 1266 N THR B 21 9.547 -20.645 -6.255 1.00 0.00 N ATOM 1267 CA THR B 21 10.396 -19.644 -5.615 1.00 0.00 C ATOM 1268 C THR B 21 9.550 -18.497 -5.062 1.00 0.00 C ATOM 1269 O THR B 21 8.365 -18.391 -5.382 1.00 0.00 O ATOM 1270 CB THR B 21 11.436 -19.085 -6.610 1.00 0.00 C ATOM 1271 OG1 THR B 21 12.149 -20.165 -7.225 1.00 0.00 O ATOM 1272 CG2 THR B 21 12.426 -18.159 -5.918 1.00 0.00 C ATOM 0 H THR B 21 9.246 -20.394 -7.197 1.00 0.00 H new ATOM 0 HA THR B 21 10.922 -20.130 -4.793 1.00 0.00 H new ATOM 0 HB THR B 21 10.900 -18.512 -7.367 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.806 -19.805 -7.857 1.00 0.00 H new ATOM 0 HG21 THR B 21 13.144 -17.783 -6.647 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.890 -17.321 -5.472 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.954 -18.708 -5.139 1.00 0.00 H new ATOM 1280 N LEU B 22 10.154 -17.640 -4.239 1.00 0.00 N ATOM 1281 CA LEU B 22 9.442 -16.515 -3.665 1.00 0.00 C ATOM 1282 C LEU B 22 8.886 -15.622 -4.765 1.00 0.00 C ATOM 1283 O LEU B 22 8.041 -14.785 -4.515 1.00 0.00 O ATOM 1284 CB LEU B 22 10.345 -15.711 -2.721 1.00 0.00 C ATOM 1285 CG LEU B 22 10.830 -14.364 -3.259 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.459 -13.545 -2.146 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.806 -14.545 -4.407 1.00 0.00 C ATOM 0 H LEU B 22 11.133 -17.709 -3.960 1.00 0.00 H new ATOM 0 HA LEU B 22 8.610 -16.905 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.804 -15.537 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.216 -16.319 -2.475 1.00 0.00 H new ATOM 0 HG LEU B 22 9.964 -13.825 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.799 -12.589 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.722 -13.369 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.308 -14.087 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.131 -13.568 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.671 -15.111 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.318 -15.085 -5.218 1.00 0.00 H new ATOM 1299 N GLU B 23 9.372 -15.801 -5.989 1.00 0.00 N ATOM 1300 CA GLU B 23 8.912 -14.996 -7.117 1.00 0.00 C ATOM 1301 C GLU B 23 7.401 -14.790 -7.041 1.00 0.00 C ATOM 1302 O GLU B 23 6.878 -13.778 -7.514 1.00 0.00 O ATOM 1303 CB GLU B 23 9.282 -15.672 -8.439 1.00 0.00 C ATOM 1304 CG GLU B 23 8.641 -17.038 -8.625 1.00 0.00 C ATOM 1305 CD GLU B 23 9.016 -17.686 -9.945 1.00 0.00 C ATOM 1306 OE1 GLU B 23 9.780 -17.068 -10.715 1.00 0.00 O ATOM 1307 OE2 GLU B 23 8.543 -18.812 -10.208 1.00 0.00 O ATOM 0 H GLU B 23 10.082 -16.494 -6.226 1.00 0.00 H new ATOM 0 HA GLU B 23 9.402 -14.024 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.984 -15.025 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.366 -15.778 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.942 -17.691 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.557 -16.937 -8.570 1.00 0.00 H new ATOM 1314 N THR B 24 6.714 -15.743 -6.412 1.00 0.00 N ATOM 1315 CA THR B 24 5.271 -15.654 -6.235 1.00 0.00 C ATOM 1316 C THR B 24 4.905 -14.308 -5.622 1.00 0.00 C ATOM 1317 O THR B 24 3.953 -13.657 -6.055 1.00 0.00 O ATOM 1318 CB THR B 24 4.739 -16.790 -5.341 1.00 0.00 C ATOM 1319 OG1 THR B 24 3.339 -16.611 -5.098 1.00 0.00 O ATOM 1320 CG2 THR B 24 5.490 -16.836 -4.020 1.00 0.00 C ATOM 0 H THR B 24 7.136 -16.584 -6.018 1.00 0.00 H new ATOM 0 HA THR B 24 4.809 -15.751 -7.217 1.00 0.00 H new ATOM 0 HB THR B 24 4.896 -17.735 -5.861 1.00 0.00 H new ATOM 0 HG1 THR B 24 2.914 -17.485 -4.975 1.00 0.00 H new ATOM 0 HG21 THR B 24 5.097 -17.646 -3.406 1.00 0.00 H new ATOM 0 HG22 THR B 24 6.550 -17.006 -4.210 1.00 0.00 H new ATOM 0 HG23 THR B 24 5.363 -15.889 -3.496 1.00 0.00 H new ATOM 1328 N LEU B 25 5.683 -13.877 -4.629 1.00 0.00 N ATOM 1329 CA LEU B 25 5.444 -12.590 -4.002 1.00 0.00 C ATOM 1330 C LEU B 25 5.729 -11.474 -4.996 1.00 0.00 C ATOM 1331 O LEU B 25 4.935 -10.561 -5.159 1.00 0.00 O ATOM 1332 CB LEU B 25 6.260 -12.404 -2.706 1.00 0.00 C ATOM 1333 CG LEU B 25 7.728 -12.863 -2.708 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.585 -12.025 -3.644 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.297 -12.799 -1.302 1.00 0.00 C ATOM 0 H LEU B 25 6.474 -14.398 -4.249 1.00 0.00 H new ATOM 0 HA LEU B 25 4.395 -12.551 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.241 -11.345 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.744 -12.936 -1.907 1.00 0.00 H new ATOM 0 HG LEU B 25 7.747 -13.892 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.614 -12.384 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.201 -12.108 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.555 -10.982 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.337 -13.126 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.244 -11.774 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.720 -13.451 -0.646 1.00 0.00 H new ATOM 1347 N GLU B 26 6.843 -11.561 -5.699 1.00 0.00 N ATOM 1348 CA GLU B 26 7.161 -10.547 -6.683 1.00 0.00 C ATOM 1349 C GLU B 26 5.981 -10.401 -7.632 1.00 0.00 C ATOM 1350 O GLU B 26 5.758 -9.340 -8.214 1.00 0.00 O ATOM 1351 CB GLU B 26 8.457 -10.898 -7.421 1.00 0.00 C ATOM 1352 CG GLU B 26 8.783 -9.987 -8.599 1.00 0.00 C ATOM 1353 CD GLU B 26 7.953 -10.293 -9.832 1.00 0.00 C ATOM 1354 OE1 GLU B 26 8.007 -11.443 -10.313 1.00 0.00 O ATOM 1355 OE2 GLU B 26 7.256 -9.379 -10.320 1.00 0.00 O ATOM 0 H GLU B 26 7.531 -12.309 -5.609 1.00 0.00 H new ATOM 0 HA GLU B 26 7.333 -9.589 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.284 -10.863 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.388 -11.925 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.619 -8.950 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.840 -10.085 -8.846 1.00 0.00 H new ATOM 1362 N GLU B 27 5.202 -11.476 -7.749 1.00 0.00 N ATOM 1363 CA GLU B 27 4.017 -11.473 -8.597 1.00 0.00 C ATOM 1364 C GLU B 27 2.833 -10.835 -7.876 1.00 0.00 C ATOM 1365 O GLU B 27 2.213 -9.903 -8.384 1.00 0.00 O ATOM 1366 CB GLU B 27 3.649 -12.903 -9.000 1.00 0.00 C ATOM 1367 CG GLU B 27 4.762 -13.650 -9.713 1.00 0.00 C ATOM 1368 CD GLU B 27 5.097 -13.056 -11.068 1.00 0.00 C ATOM 1369 OE1 GLU B 27 5.501 -11.876 -11.118 1.00 0.00 O ATOM 1370 OE2 GLU B 27 4.955 -13.773 -12.081 1.00 0.00 O ATOM 0 H GLU B 27 5.373 -12.358 -7.266 1.00 0.00 H new ATOM 0 HA GLU B 27 4.246 -10.889 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.366 -13.460 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU B 27 2.773 -12.873 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.655 -13.644 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU B 27 4.470 -14.692 -9.841 1.00 0.00 H new ATOM 1377 N MET B 28 2.514 -11.361 -6.694 1.00 0.00 N ATOM 1378 CA MET B 28 1.389 -10.865 -5.903 1.00 0.00 C ATOM 1379 C MET B 28 1.801 -9.729 -4.967 1.00 0.00 C ATOM 1380 O MET B 28 1.126 -8.710 -4.886 1.00 0.00 O ATOM 1381 CB MET B 28 0.773 -12.012 -5.100 1.00 0.00 C ATOM 1382 CG MET B 28 0.321 -13.175 -5.968 1.00 0.00 C ATOM 1383 SD MET B 28 -0.379 -14.532 -5.014 1.00 0.00 S ATOM 1384 CE MET B 28 -0.719 -15.715 -6.315 1.00 0.00 C ATOM 0 H MET B 28 3.021 -12.133 -6.262 1.00 0.00 H new ATOM 0 HA MET B 28 0.650 -10.463 -6.596 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.502 -12.371 -4.374 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.080 -11.635 -4.536 1.00 0.00 H new ATOM 0 HG2 MET B 28 -0.421 -12.821 -6.684 1.00 0.00 H new ATOM 0 HG3 MET B 28 1.170 -13.543 -6.544 1.00 0.00 H new ATOM 0 HE1 MET B 28 -1.345 -16.517 -5.923 1.00 0.00 H new ATOM 0 HE2 MET B 28 -1.238 -15.216 -7.134 1.00 0.00 H new ATOM 0 HE3 MET B 28 0.219 -16.133 -6.681 1.00 0.00 H new ATOM 1394 N LEU B 29 2.913 -9.919 -4.271 1.00 0.00 N ATOM 1395 CA LEU B 29 3.444 -8.919 -3.333 1.00 0.00 C ATOM 1396 C LEU B 29 3.628 -7.573 -4.034 1.00 0.00 C ATOM 1397 O LEU B 29 3.453 -6.517 -3.429 1.00 0.00 O ATOM 1398 CB LEU B 29 4.774 -9.440 -2.763 1.00 0.00 C ATOM 1399 CG LEU B 29 5.483 -8.576 -1.725 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.669 -8.465 -0.448 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.849 -9.165 -1.423 1.00 0.00 C ATOM 0 H LEU B 29 3.477 -10.766 -4.335 1.00 0.00 H new ATOM 0 HA LEU B 29 2.741 -8.763 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.589 -10.417 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.459 -9.595 -3.596 1.00 0.00 H new ATOM 0 HG LEU B 29 5.598 -7.572 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU B 29 5.202 -7.843 0.271 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.702 -8.014 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.517 -9.458 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU B 29 7.356 -8.548 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.731 -10.176 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU B 29 7.443 -9.195 -2.337 1.00 0.00 H new ATOM 1413 N GLU B 30 3.963 -7.618 -5.318 1.00 0.00 N ATOM 1414 CA GLU B 30 4.152 -6.400 -6.106 1.00 0.00 C ATOM 1415 C GLU B 30 2.818 -5.706 -6.380 1.00 0.00 C ATOM 1416 O GLU B 30 2.751 -4.483 -6.479 1.00 0.00 O ATOM 1417 CB GLU B 30 4.842 -6.721 -7.433 1.00 0.00 C ATOM 1418 CG GLU B 30 4.992 -5.516 -8.350 1.00 0.00 C ATOM 1419 CD GLU B 30 5.674 -5.857 -9.660 1.00 0.00 C ATOM 1420 OE1 GLU B 30 6.028 -7.038 -9.856 1.00 0.00 O ATOM 1421 OE2 GLU B 30 5.855 -4.942 -10.491 1.00 0.00 O ATOM 0 H GLU B 30 4.110 -8.483 -5.838 1.00 0.00 H new ATOM 0 HA GLU B 30 4.782 -5.727 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.829 -7.136 -7.228 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.273 -7.493 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.007 -5.097 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.565 -4.744 -7.837 1.00 0.00 H new ATOM 1428 N LYS B 31 1.760 -6.496 -6.514 1.00 0.00 N ATOM 1429 CA LYS B 31 0.431 -5.953 -6.786 1.00 0.00 C ATOM 1430 C LYS B 31 -0.261 -5.600 -5.485 1.00 0.00 C ATOM 1431 O LYS B 31 -1.025 -4.637 -5.394 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.396 -6.964 -7.573 1.00 0.00 C ATOM 1433 CG LYS B 31 0.421 -7.691 -8.623 1.00 0.00 C ATOM 1434 CD LYS B 31 1.075 -6.727 -9.600 1.00 0.00 C ATOM 1435 CE LYS B 31 2.023 -7.451 -10.543 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.323 -8.489 -11.348 1.00 0.00 N ATOM 0 H LYS B 31 1.794 -7.513 -6.439 1.00 0.00 H new ATOM 0 HA LYS B 31 0.532 -5.047 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.826 -7.691 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.228 -6.451 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.190 -8.290 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.222 -8.381 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.306 -6.214 -10.178 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.622 -5.962 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.491 -6.729 -11.211 1.00 0.00 H new ATOM 0 HE3 LYS B 31 2.822 -7.917 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.971 -8.864 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.015 -9.262 -10.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.494 -8.067 -11.813 1.00 0.00 H new ATOM 1450 N LEU B 32 0.033 -6.396 -4.475 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.521 -6.203 -3.158 1.00 0.00 C ATOM 1452 C LEU B 32 0.018 -4.917 -2.555 1.00 0.00 C ATOM 1453 O LEU B 32 -0.602 -4.313 -1.680 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.189 -7.398 -2.281 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.788 -7.330 -0.880 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.258 -6.950 -0.946 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.611 -8.651 -0.163 1.00 0.00 C ATOM 0 H LEU B 32 0.664 -7.194 -4.549 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.606 -6.119 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.543 -8.304 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.894 -7.483 -2.197 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.260 -6.560 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.668 -6.906 0.063 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.361 -5.975 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.801 -7.696 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.044 -8.584 0.835 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.112 -9.440 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.451 -8.882 -0.083 1.00 0.00 H new ATOM 1469 N GLU B 33 1.173 -4.487 -3.043 1.00 0.00 N ATOM 1470 CA GLU B 33 1.767 -3.245 -2.571 1.00 0.00 C ATOM 1471 C GLU B 33 1.200 -2.076 -3.362 1.00 0.00 C ATOM 1472 O GLU B 33 0.841 -1.049 -2.793 1.00 0.00 O ATOM 1473 CB GLU B 33 3.292 -3.269 -2.673 1.00 0.00 C ATOM 1474 CG GLU B 33 3.813 -3.457 -4.088 1.00 0.00 C ATOM 1475 CD GLU B 33 5.281 -3.104 -4.229 1.00 0.00 C ATOM 1476 OE1 GLU B 33 5.875 -2.619 -3.243 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.836 -3.302 -5.332 1.00 0.00 O ATOM 0 H GLU B 33 1.713 -4.974 -3.758 1.00 0.00 H new ATOM 0 HA GLU B 33 1.516 -3.129 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.688 -2.336 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.675 -4.074 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.663 -4.494 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.229 -2.839 -4.770 1.00 0.00 H new ATOM 1484 N VAL B 34 1.112 -2.243 -4.686 1.00 0.00 N ATOM 1485 CA VAL B 34 0.575 -1.194 -5.538 1.00 0.00 C ATOM 1486 C VAL B 34 -0.859 -0.881 -5.145 1.00 0.00 C ATOM 1487 O VAL B 34 -1.274 0.279 -5.176 1.00 0.00 O ATOM 1488 CB VAL B 34 0.633 -1.544 -7.040 1.00 0.00 C ATOM 1489 CG1 VAL B 34 2.066 -1.810 -7.474 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.262 -2.727 -7.364 1.00 0.00 C ATOM 0 H VAL B 34 1.404 -3.087 -5.180 1.00 0.00 H new ATOM 0 HA VAL B 34 1.208 -0.319 -5.386 1.00 0.00 H new ATOM 0 HB VAL B 34 0.261 -0.686 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL B 34 2.085 -2.055 -8.536 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.671 -0.921 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.470 -2.645 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.200 -2.949 -8.429 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.063 -3.596 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.293 -2.486 -7.103 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.616 -1.910 -4.744 1.00 0.00 N ATOM 1501 CA VAL B 35 -2.988 -1.678 -4.318 1.00 0.00 C ATOM 1502 C VAL B 35 -2.974 -0.640 -3.211 1.00 0.00 C ATOM 1503 O VAL B 35 -3.670 0.368 -3.285 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.709 -2.949 -3.804 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -4.010 -3.921 -4.929 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -2.902 -3.632 -2.726 1.00 0.00 C ATOM 0 H VAL B 35 -1.307 -2.882 -4.708 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.542 -1.341 -5.194 1.00 0.00 H new ATOM 0 HB VAL B 35 -4.659 -2.626 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -4.516 -4.799 -4.526 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -4.653 -3.438 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -3.078 -4.226 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -3.431 -4.521 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -1.930 -3.920 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -2.761 -2.948 -1.889 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.139 -0.868 -2.199 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.027 0.090 -1.111 1.00 0.00 C ATOM 1518 C VAL B 36 -1.213 1.299 -1.545 1.00 0.00 C ATOM 1519 O VAL B 36 -1.313 2.360 -0.959 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.419 -0.488 0.181 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -2.483 -0.554 1.266 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -0.754 -1.837 -0.063 1.00 0.00 C ATOM 0 H VAL B 36 -1.543 -1.691 -2.113 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.052 0.377 -0.877 1.00 0.00 H new ATOM 0 HB VAL B 36 -0.628 0.178 0.525 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -2.048 -0.963 2.178 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -2.864 0.448 1.464 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.301 -1.194 0.935 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.337 -2.212 0.872 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.493 -2.544 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.045 -1.722 -0.796 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.412 1.151 -2.585 1.00 0.00 N ATOM 1533 CA ASN B 37 0.373 2.277 -3.066 1.00 0.00 C ATOM 1534 C ASN B 37 -0.568 3.420 -3.387 1.00 0.00 C ATOM 1535 O ASN B 37 -0.266 4.587 -3.135 1.00 0.00 O ATOM 1536 CB ASN B 37 1.191 1.887 -4.298 1.00 0.00 C ATOM 1537 CG ASN B 37 1.901 3.068 -4.929 1.00 0.00 C ATOM 1538 OD1 ASN B 37 2.685 3.758 -4.277 1.00 0.00 O ATOM 1539 ND2 ASN B 37 1.628 3.306 -6.206 1.00 0.00 N ATOM 0 H ASN B 37 -0.288 0.282 -3.105 1.00 0.00 H new ATOM 0 HA ASN B 37 1.077 2.586 -2.294 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.927 1.134 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.532 1.428 -5.036 1.00 0.00 H new ATOM 0 HD21 ASN B 37 2.075 4.087 -6.686 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.971 2.708 -6.707 1.00 0.00 H new ATOM 1546 N GLU B 38 -1.731 3.061 -3.917 1.00 0.00 N ATOM 1547 CA GLU B 38 -2.751 4.042 -4.249 1.00 0.00 C ATOM 1548 C GLU B 38 -3.580 4.384 -3.014 1.00 0.00 C ATOM 1549 O GLU B 38 -3.861 5.552 -2.753 1.00 0.00 O ATOM 1550 CB GLU B 38 -3.656 3.515 -5.362 1.00 0.00 C ATOM 1551 CG GLU B 38 -2.916 3.207 -6.653 1.00 0.00 C ATOM 1552 CD GLU B 38 -3.835 2.699 -7.746 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -4.480 1.650 -7.540 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -3.911 3.352 -8.809 1.00 0.00 O ATOM 0 H GLU B 38 -1.989 2.096 -4.125 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.257 4.948 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.156 2.611 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.434 4.251 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.408 4.107 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.145 2.462 -6.456 1.00 0.00 H new ATOM 1561 N ARG B 39 -3.967 3.361 -2.251 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.760 3.569 -1.040 1.00 0.00 C ATOM 1563 C ARG B 39 -3.939 4.247 0.048 1.00 0.00 C ATOM 1564 O ARG B 39 -4.360 5.236 0.623 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.303 2.248 -0.498 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.503 1.688 -1.244 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.191 1.398 -2.695 1.00 0.00 C ATOM 1568 NE ARG B 39 -6.165 2.608 -3.511 1.00 0.00 N ATOM 1569 CZ ARG B 39 -7.190 3.452 -3.624 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -8.314 3.234 -2.956 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -7.085 4.522 -4.399 1.00 0.00 N ATOM 0 H ARG B 39 -3.745 2.385 -2.449 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.594 4.214 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.503 1.508 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.578 2.388 0.547 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -6.837 0.772 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.328 2.398 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.226 0.896 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -6.937 0.710 -3.094 1.00 0.00 H new ATOM 0 HE ARG B 39 -5.310 2.820 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -8.398 2.417 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -9.095 3.884 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -6.220 4.699 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -7.870 5.168 -4.486 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.767 3.704 0.330 1.00 0.00 N ATOM 1586 CA ARG B 40 -1.895 4.272 1.363 1.00 0.00 C ATOM 1587 C ARG B 40 -1.778 5.787 1.195 1.00 0.00 C ATOM 1588 O ARG B 40 -1.811 6.533 2.176 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.490 3.636 1.339 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.408 2.241 1.956 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.581 2.279 3.468 1.00 0.00 C ATOM 1592 NE ARG B 40 -1.913 2.727 3.868 1.00 0.00 N ATOM 1593 CZ ARG B 40 -2.285 2.893 5.134 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -1.431 2.646 6.119 1.00 0.00 N ATOM 1595 NH2 ARG B 40 -3.514 3.305 5.416 1.00 0.00 N ATOM 0 H ARG B 40 -2.393 2.876 -0.134 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.351 4.050 2.328 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.149 3.581 0.305 1.00 0.00 H new ATOM 0 HB3 ARG B 40 0.200 4.293 1.868 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -1.177 1.604 1.518 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.555 1.792 1.712 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -0.398 1.285 3.876 1.00 0.00 H new ATOM 0 HD3 ARG B 40 0.167 2.944 3.899 1.00 0.00 H new ATOM 0 HE ARG B 40 -2.595 2.923 3.136 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -0.486 2.328 5.906 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -1.720 2.774 7.089 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -4.174 3.495 4.662 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -3.799 3.432 6.387 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.634 6.235 -0.050 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.502 7.667 -0.337 1.00 0.00 C ATOM 1611 C GLU B 41 -2.856 8.389 -0.407 1.00 0.00 C ATOM 1612 O GLU B 41 -2.970 9.539 0.020 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.736 7.877 -1.646 1.00 0.00 C ATOM 1614 CG GLU B 41 -1.435 7.303 -2.865 1.00 0.00 C ATOM 1615 CD GLU B 41 -0.652 7.526 -4.144 1.00 0.00 C ATOM 1616 OE1 GLU B 41 0.500 7.048 -4.226 1.00 0.00 O ATOM 1617 OE2 GLU B 41 -1.189 8.177 -5.064 1.00 0.00 O ATOM 0 H GLU B 41 -1.605 5.634 -0.874 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.947 8.102 0.494 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -0.581 8.945 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU B 41 0.250 7.421 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.591 6.234 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -2.420 7.758 -2.962 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.874 7.726 -0.958 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.203 8.333 -1.092 1.00 0.00 C ATOM 1626 C GLU B 42 -5.953 8.332 0.231 1.00 0.00 C ATOM 1627 O GLU B 42 -6.655 9.286 0.561 1.00 0.00 O ATOM 1628 CB GLU B 42 -6.025 7.604 -2.157 1.00 0.00 C ATOM 1629 CG GLU B 42 -5.505 7.799 -3.574 1.00 0.00 C ATOM 1630 CD GLU B 42 -5.602 9.238 -4.046 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -6.114 10.084 -3.283 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -5.168 9.518 -5.185 1.00 0.00 O ATOM 0 H GLU B 42 -3.807 6.774 -1.317 1.00 0.00 H new ATOM 0 HA GLU B 42 -5.058 9.368 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.036 6.538 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -7.057 7.952 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -4.465 7.476 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.069 7.160 -4.254 1.00 0.00 H new ATOM 1639 N GLU B 43 -5.804 7.254 0.977 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.462 7.113 2.265 1.00 0.00 C ATOM 1641 C GLU B 43 -6.050 8.227 3.207 1.00 0.00 C ATOM 1642 O GLU B 43 -6.900 8.868 3.830 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.140 5.756 2.868 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.117 4.679 2.444 1.00 0.00 C ATOM 1645 CD GLU B 43 -8.506 4.887 3.020 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -8.712 5.896 3.730 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.388 4.041 2.766 1.00 0.00 O ATOM 0 H GLU B 43 -5.228 6.455 0.711 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.539 7.183 2.113 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.132 5.462 2.574 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.144 5.836 3.955 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.179 4.659 1.356 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.739 3.707 2.760 1.00 0.00 H new ATOM 1654 N SER B 44 -4.749 8.482 3.289 1.00 0.00 N ATOM 1655 CA SER B 44 -4.250 9.555 4.134 1.00 0.00 C ATOM 1656 C SER B 44 -4.929 10.846 3.708 1.00 0.00 C ATOM 1657 O SER B 44 -5.232 11.717 4.525 1.00 0.00 O ATOM 1658 CB SER B 44 -2.731 9.680 4.007 1.00 0.00 C ATOM 1659 OG SER B 44 -2.231 10.715 4.836 1.00 0.00 O ATOM 0 H SER B 44 -4.029 7.965 2.785 1.00 0.00 H new ATOM 0 HA SER B 44 -4.475 9.341 5.179 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.262 8.734 4.278 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.466 9.881 2.969 1.00 0.00 H new ATOM 0 HG SER B 44 -1.258 10.772 4.737 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.186 10.929 2.407 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.857 12.073 1.814 1.00 0.00 C ATOM 1667 C ALA B 45 -7.323 12.109 2.234 1.00 0.00 C ATOM 1668 O ALA B 45 -7.866 13.171 2.544 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.737 12.004 0.300 1.00 0.00 C ATOM 0 H ALA B 45 -4.934 10.203 1.736 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.382 12.988 2.167 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.241 12.862 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.684 12.015 0.018 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.200 11.085 -0.060 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.955 10.936 2.243 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.356 10.815 2.626 1.00 0.00 C ATOM 1677 C ALA B 46 -9.563 11.255 4.070 1.00 0.00 C ATOM 1678 O ALA B 46 -10.551 11.915 4.394 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.832 9.378 2.438 1.00 0.00 C ATOM 0 H ALA B 46 -7.513 10.053 1.987 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.944 11.469 1.982 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.880 9.301 2.728 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.723 9.092 1.392 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.234 8.712 3.060 1.00 0.00 H new